BAS 02054082
TL;DR: BAS 02054082 (CAS 304683-77-0) is a chemical compound with molecular formula C18H16ClN3OS2 and molecular weight 389.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chlorophenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
Also Known As: BAS 02054082, N-(2-chlorophenyl)-2-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraen-3-ylsulfanyl}acetamide, N-(2-chlorophenyl)-2-(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-yl thio)acetamide
| Molecular Formula | C18H16ClN3OS2 |
|---|---|
| Molecular Weight | 389.04 g/mol |
| LogP | 4.9543 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.04233 |
| Heavy Atoms | 25 |
| Complexity | 941.21594 |
Chemical Identifiers
| CAS Number | 304683-77-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC(=O)NC4=CC=CC=C4Cl |
Product Overview
BAS 02054082 (CAS 304683-77-0), with molecular formula C18H16ClN3OS2 and molecular weight 389.04 g/mol. IUPAC: N-(2-chlorophenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide.
Chemical Property Profile of BAS 02054082
Property Insights of BAS 02054082
The XLogP value of 4.9543 indicates that BAS 02054082 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, BAS 02054082 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02054082 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02054082?
The CAS number of BAS 02054082 is 304683-77-0.
What is the molecular formula of BAS 02054082?
The molecular formula of BAS 02054082 is C18H16ClN3OS2.
What is the molecular weight of BAS 02054082?
The molecular weight of BAS 02054082 is 389.04 g/mol.
Where can I buy BAS 02054082?
You can request a quote for BAS 02054082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02054082?
Yes, KEHONG BIO provides custom synthesis services for BAS 02054082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.